ethyl (E)-4-[(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxidanylidene-but-2-enoate

Systemtic Name: ethyl (E)-4-[(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxidanylidene-but-2-enoate Openeye Name: ethyl (E)-4-[(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-4-oxo-but-2-enoate CAS Name: (E)-4-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxo-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxobut-2-enoate Traditional Name: (E)-4-[(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-4-keto-but-2-enoic acid ethyl ester Formula: C15H18N2O4S MolecularWeight: 322.37942

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)NC1=C(C2=C(S1)CCCC2)C(=O)N

Isomeric SMILES

CCOC(=O)/C=C/C(=O)NC1=C(C2=C(S1)CCCC2)C(=O)N

InChI

InChI=1S/C15H18N2O4S/c1-2-21-12(19)8-7-11(18)17-15-13(14(16)20)9-5-3-4-6-10(9)22-15/h7-8H,2-6H2,1H3,(H2,16,20)(H,17,18)/b8-7+